(2-hydroxyphenyl)-[2-(4-methylphenyl)pyrimidin-5-yl]methanone

C18H14N2O2 — CID 70677482

IUPAC(2-hydroxyphenyl)-[2-(4-methylphenyl)pyrimidin-5-yl]methanone
SMILESCc1ccc(-c2ncc(C(=O)c3ccccc3O)cn2)cc1
InChIInChI=1S/C18H14N2O2/c1-12-6-8-13(9-7-12)18-19-10-14(11-20-18)17(22)15-4-2-3-5-16(15)21/h2-11,21H,1H3
InChIKeyXZMXPNUDRPHDQK-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.39
Rot. Bonds3

About (2-hydroxyphenyl)-[2-(4-methylphenyl)pyrimidin-5-yl]methanone

(2-hydroxyphenyl)-[2-(4-methylphenyl)pyrimidin-5-yl]methanone (PubChem CID 70677482) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is (2-hydroxyphenyl)-[2-(4-methylphenyl)pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name(2-hydroxyphenyl)-[2-(4-methylphenyl)pyrimidin-5-yl]methanone
PubChem CID70677482
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name(2-hydroxyphenyl)-[2-(4-methylphenyl)pyrimidin-5-yl]methanone
SMILESCc1ccc(-c2ncc(C(=O)c3ccccc3O)cn2)cc1
InChIInChI=1S/C18H14N2O2/c1-12-6-8-13(9-7-12)18-19-10-14(11-20-18)17(22)15-4-2-3-5-16(15)21/h2-11,21H,1H3
InChIKeyXZMXPNUDRPHDQK-UHFFFAOYSA-N
XLogP3.39
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)-[2-(4-methylphenyl)pyrimidin-5-yl]methanone?
The IUPAC name of (2-hydroxyphenyl)-[2-(4-methylphenyl)pyrimidin-5-yl]methanone (CID 70677482) is (2-hydroxyphenyl)-[2-(4-methylphenyl)pyrimidin-5-yl]methanone.
What is the SMILES notation for (2-hydroxyphenyl)-[2-(4-methylphenyl)pyrimidin-5-yl]methanone?
The canonical SMILES for (2-hydroxyphenyl)-[2-(4-methylphenyl)pyrimidin-5-yl]methanone is Cc1ccc(-c2ncc(C(=O)c3ccccc3O)cn2)cc1.
What is the InChIKey of (2-hydroxyphenyl)-[2-(4-methylphenyl)pyrimidin-5-yl]methanone?
The InChIKey is XZMXPNUDRPHDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c1-12-6-8-13(9-7-12)18-19-10-14(11-20-18)17(22)15-4-2-3-5-16(15)21/h2-11,21H,1H3.
What are the key properties of (2-hydroxyphenyl)-[2-(4-methylphenyl)pyrimidin-5-yl]methanone?
(2-hydroxyphenyl)-[2-(4-methylphenyl)pyrimidin-5-yl]methanone has a molecular weight of 290.32 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl)-[2-(4-methylphenyl)pyrimidin-5-yl]methanone is sourced from PubChem (CID 70677482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).